Chemical Properties of 5-«alpha»-Pregnan-3,11-dione, MO

5-«alpha»-Pregnan-3,11-dione, MO

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InChI
InChI=1S/C23H38N2O2/c1-6-15-8-10-19-18-9-7-16-13-17(24-26-4)11-12-22(16,2)21(18)20(25-27-5)14-23(15,19)3/h15-16,18-19,21H,6-14H2,1-5H3/b24-17+,25-20+/t15-,16-,18?,19?,21?,22-,23+/m1/s1
InChI Key
ACPIXOASZHBQJM-MXIPSPLNSA-N
Formula
C23H38N2O2
SMILES
CCC1CCC2C3CCC4CC(=NOC)CCC4(C)C3C(=NOC)CC12C
Molecular Weight1
374.56
Sources

Physical Properties

Property Value Unit Source
Δfgas -470.57 kJ/mol Joback Calculated Property
Δvap 77.18 kJ/mol Joback Calculated Property
logPoct/wat 5.670 Crippen Calculated Property
Pc 1054.14 kPa Joback Calculated Property
Tboil 963.58 K Joback Calculated Property
Tc 1204.81 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-N= 2
=C< (ring) 2
-CH2- 1
>C< (ring) 2
-CH3 5
>CH- (ring) 5
-CH2- (ring) 8

Similar Compounds

5-«beta»-Pregnan-3,11-dione, MO. Pregnanedione, MO TMS. 5«alpha»-pregnane-3,20-dione, MO-TMS, syn. 5«beta»-Pregnane-3,20-dione, bis(O-methyloxime). 5«alpha»-pregnane-3,20-dione, MO-TMS, anti. 5-«beta»-Pregnan-11-one, MO. 5-«alpha»-Pregnan-11-one, MO. 5.alpha.-Pregnan-3,20-dione, MO, # 2. 5.alpha.-Pregnan-3,20-dione, MO, # 1. 5-«alpha»-Pregnan-11,20-dione, MO. 5-«beta»-Pregnan-11,20-dione, MO. 5-«beta»-Pregnan-20-one, MO. 5-«alpha»-Pregnan-20-one, MO. Delta-camphor oxime. 5«alpha»-Cholestan-3-one, MO, # 2.

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